dtprocess on-line help

Predict reflections

The Predict menu prepares a dtpredict command and runs it.

Select a header from the top list. Usually this is dtrefine.head.
Select the image or range of images to predict reflections for.
Set the menu options described below.
Select Run predict
View the dtpredict log file; view the predicted reflections with dtdisplay.

Predict menu options

Image sequence: If you do not use the Images list, you can set the sequence of images to predict by entering their numbers. This overrides the Rot start, end control.
Rot start, end: Instead of a specific sequence you may enter the rotation range to predict reflections for. This overrides the Image sequence control.
Resolution: Only reflections within the resolution limits in Angstroms are predicted. If either limit is 0.0, then all reflections that fall on the detector are predicted.
Crystal mosaicity: If not 0.0, then the specified crystal mosaicity overrides the value found in the input header. In addition, a new header named *dtpredict.head will be written with the updated value for crystal mosacitiy.
Display: If set, then a message is sent to dtdisplay to load and display the predicted reflection list.
List props: The properties read from the header file are listed in the dtpredict log file, so you can check that values used for prediction.
No bad pixels: If set, reflections that fall in bad non-uniformity areas are not included in the reflnlist file. If not set, then the reflections are included, but flagged as falling in the bad non-uniformity areas.

Tips

To see whether Image sequence or Rot start, end has control, check which is sensitized and which is desensitized -- or look at the dtpredict command line that is formed in Command control below the menu.

When predicting and displaying, double-check that the rotation range predicted matches the image rotation range displayed.